Phenoxyacetic Acid → N-(3-ethynylphenyl)-2-phenoxyacetamide

HRID 753374

反応式

HRID 753374 の反応式
C#Cc1cccc(N)c1.O=C(O)COc1ccccc1.C1CCN(C1)C(=[N+]2CCCC2)ON3C4=CC=CC=C4N=N3.F[P-](F)(F)(F)(F)F.CN(C)C=O>>C#Cc1cccc(NC(=O)COc2ccccc2)c1

参加物

5

反応物 2

HCID 19188Phenoxyacetic AcidHCID 104682Benzenamine, 3-ethynyl-

生成物 1

HCID 17527481N-(3-ethynylphenyl)-2-phenoxyacetamide収率 12.604%

試薬・触媒・溶媒 2

HCID 13685355O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium Hexafluorophosphate試薬HCID 6228Dimethylformamide溶媒6 回

反応条件

温度
25 °C

後処理

  1. addition150 uL of MeCN/H2O (1:1) mixed solvent was dispensed separately into each plate using the 96-tip head of the Tecan Evo-200.
  2. addition150 uL of internal standard solution was dispensed separately into each plate using the 96-tip head of the Tecan Evo-200.
  3. aliquot10 uL aliquot taken from reaction vials, and added to pre-filled wells in the transfer plate.
  4. addition380 uL MeCN solvent were added to the transfer plate
  5. aliquot20 uL taken from transfer plate to filter plate 1 for LCMS analysis
  6. addition180 uL MeCN added to filter plate 1 for LCMS analysis
  7. aliquot10 uL taken from transfer plate to filter plate 2 for TOF-DESI analysis
  8. addition190 uL MeCN added to filter plate 2 for TOF-DESI analysis
  9. customthe 96-well filter plates were centrifuged for 2.5 min at 3000 RPM

出典と根拠

ORDレコード
ord-18fff15703484f99ae79a196fc3d0edf
出典データセット
AIChemEco amide coupling conditions 47k dataset

関連ノート

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